CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1)F)F)Cl
CAS: 318685-01-7
Name: ethyl 4-chloro-6,7-difluoroquinoline-3-carboxylate
SMILES: CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1)F)F)Cl

Molecular Processing

Molecular formula
C12H8ClF2NO2
Molecular weight
271.65
Exact mass
271.0212
XLogP
3.34
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
62.63

Supplementary Information

InChIKey: NQGTXOOKGUUMFE-UHFFFAOYSA-N
Synonyms
ethyl 4-chloro-6,7-difluoroquinoline-3-carboxylate318685-01-7DTXSID40363681RefChem:343905DTXCID30314728MFCD06014061Ethyl 4-chloro-6,7-difluoro-quinoline-3-carboxylateEthyl 4-chloro-67-difluoroquinoline-3-carboxylateSCHEMBL1467265NQGTXOOKGUUMFE-UHFFFAOYSA-NSC1323STK780947AKOS000182202DS-8388SB71700SY105845DB-157730ST4117112CS-0099580ethyl4-chloro-6,7-difluoroquinoline-3-carboxylateF307014Ethyl 4-chloro-6 pound not7-difluoroquinoline-3-carboxylate
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